Sugi Predict

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SCHEMBL4664853

SCHEMBL4664853

C[C@H](Cc1ccc(C(C)(C)C)cc1)C(=O)C1=C(O)[C@H](CC2CCCCC2)OC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 4/20 0.36
▸ TP53 P04637 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ EBP Q15125 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ SCN5A Q14524 1/20 0.32
▸ SCN2A Q99250 1/20 0.32
▸ SCN10A Q9Y5Y9 1/20 0.32
▸ BCHE P06276 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ EPHX1 P07099 1/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ LTB4R Q15722 1/20 0.32
▸ LTB4R2 Q9NPC1 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ ACE P12821 1/20 0.31
▸ CNR2 P34972 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4664673 1.00 ACACB (0.36) ACACBTP53TSHREBPSIGMAR1
SCHEMBL4664855 1.00 ACACB (0.36) ACACBTP53TSHREBPSIGMAR1
SCHEMBL4663254 0.89 NPC1 (0.38) TSHRBCHERAB9AHPGDEPHX2
SCHEMBL4663287 0.83 TP53 (0.37) ACACBTP53TSHREBPSIGMAR1
SCHEMBL4665056 0.82 MAOB (0.41) RAB9A
SCHEMBL4663095 0.81 ALDH1A1 (0.40) ACACBTP53TSHRBCHEALDH1A1
SCHEMBL4663097 0.81 ALDH1A1 (0.40) ACACBTP53TSHRBCHEALDH1A1
SCHEMBL4663092 0.81 ALDH1A1 (0.40) ACACBTP53TSHRBCHEALDH1A1
SCHEMBL4663271 0.81 TP53 (0.35) ACACBTP53TSHREBPSIGMAR1
SCHEMBL4666671 0.80 ALDH1A1 (0.39) ACACBTP53TSHRBCHEALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 — — US claimed
EP-1689729-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. Hoffmann-La Roche AG (CH) 2006-08-16 — — EP claimed
WO-2005058857-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 — — WO claimed
US-20050119329-A1 Tetronic and tetramic acids HOFFMANN-LA ROCHE INC. 2005-06-02 — — US claimed
EP-1689729-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. Hoffmann-La Roche AG (CH) 2006-08-16 — — EP disclosed
WO-2005058857-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 — — WO disclosed
US-20050119329-A1 Tetronic and tetramic acids HOFFMANN-LA ROCHE INC. 2005-06-02 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS BACE1, PSEN1, BACE2 ACACB 2127/4885TP53 1776/4885TSHR 412/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 ACACB 2127/4885TP53 1776/4885TSHR 412/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.